%chk=000029269.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029269

0 1
 O   -5.361200       1.835700      0.4048000    
 O   -6.360400      8.9500003E-02 -0.6384000    
 O    4.288300       1.822900     -0.8523000    
 O    5.389500       1.227400       1.040100    
 N    2.079500     -0.2946000     -0.3037000    
 N   -4.496100      -1.678800      3.5900000E-02
 N    5.666000      -1.313100      3.3300001E-02
 C   -1.670200     -0.5819000      0.2949000    
 C  -0.3551000     -9.7000003E-03 -0.2403000    
 C   -2.908300      0.2130000     -0.1416000    
 C   0.8354000     -0.8578000      0.2077000    
 C   -4.234300     -0.2960000      0.4378000    
 C    3.223000      -1.087800      0.1245000    
 C    4.532200     -0.5169000     -0.4345000    
 C   -5.425200      0.5388000      1.4200000E-02
 C    4.796700      0.9094000      1.7500000E-02
 H   -1.766700      -1.620900     -4.2500000E-02
 H   -1.631900     -0.6063000       1.391100    
 H  -0.3955000      2.8600000E-02  -1.336100    
 H  -0.2349000       1.021200      0.1154000    
 H   -2.964000      0.2185000      -1.238700    
 H   -2.770500       1.261200      0.1536000    
 H   0.7068000      -1.884900     -0.1550000    
 H   0.8611000     -0.8884000       1.303700    
 H   -4.193200     -0.2692000       1.532900    
 H    2.047600     -0.2563000      -1.322100    
 H    3.109200      -2.126600     -0.2109000    
 H    3.266100      -1.093300       1.221600    
 H    4.534600     -0.5411000      -1.530600    
 H   -4.575200      -1.738100     -0.9785000    
 H   -5.388000      -1.990200      0.4181000    
 H    5.553400      -2.278500     -0.2751000    
 H    5.669200      -1.347100       1.052600    
 H   -6.143200       2.347100      0.1065000    
 H    4.457900       2.742600     -0.5562000    


%chk=000029269-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029269

0 1
O -5.444146 1.720942 0.975915
O -6.140523 0.709801 -0.997667
O 4.261170 1.688981 -1.225664
O 4.897419 1.409760 0.990767
N 2.082679 -0.484281 -0.275577
N -4.537372 -1.620769 -0.321192
N 5.830116 -1.164527 0.093686
C -1.734211 -0.602809 0.353779
C -0.378505 -0.112774 -0.200539
C -2.915175 0.264016 -0.128753
C 0.806585 -0.964253 0.294844
C -4.290782 -0.320706 0.314745
C 3.287105 -1.193018 0.185343
C 4.586332 -0.581634 -0.430111
C -5.387483 0.713524 0.001577
C 4.604591 0.913171 -0.118965
H -1.921194 -1.650183 0.050193
H -1.703952 -0.590644 1.463463
H -0.408225 -0.138879 -1.311221
H -0.198236 0.941532 0.086171
H -2.903432 0.334625 -1.236143
H -2.817748 1.293476 0.265998
H 0.607882 -2.042013 0.062024
H 0.879208 -0.888629 1.398451
H -4.264556 -0.456514 1.411560
H 2.041248 -0.404803 -1.301229
H 3.289706 -2.289517 -0.049692
H 3.352058 -1.094997 1.287064
H 4.559708 -0.702438 -1.528221
H -4.702164 -1.537525 -1.331687
H -5.279780 -2.167848 0.127223
H 5.938993 -2.167108 -0.074809
H 6.042670 -0.877575 1.054187
H -6.134221 2.393439 0.722711
H 4.236835 2.648576 -0.958526


